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	hartrees
Energy at 0K	-1392.004275
Energy at 298.15K	-1392.005113
HF Energy	-1391.340228
Nuclear repulsion energy	275.814913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1249	1198	151.53
2	A'	462	443	77.08
3	A'	316	303	13.70
4	A'	176	169	0.00
5	A"	417	400	176.99
6	A"	254	244	12.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.181	0.746	0.000
O2	-1.134	1.427	0.000
Cl3	0.181	-0.687	1.604
Cl4	0.181	-0.687	-1.604

	S1	O2	Cl3	Cl4
S1		1.4812	2.1512	2.1512
O2	1.4812		2.9618	2.9618
Cl3	2.1512	2.9618		3.2082
Cl4	2.1512	2.9618	3.2082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.821		O2	S1	Cl4	107.821
Cl3	S1	Cl4	96.433

All results from a given calculation for SOCl₂ (thionyl chloride)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for SOCl2 (thionyl chloride)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for SOCl₂ (thionyl chloride)